2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]acetamide

C20H24N6O — CID 125172240

IUPAC2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]acetamide
SMILESCc1cc(C)n2nc(CC(=O)NC[C@H]3Cc4ccccc4CN3C)nc2n1
InChIInChI=1S/C20H24N6O/c1-13-8-14(2)26-20(22-13)23-18(24-26)10-19(27)21-11-17-9-15-6-4-5-7-16(15)12-25(17)3/h4-8,17H,9-12H2,1-3H3,(H,21,27)/t17-/m1/s1
InChIKeyTZBAIBMJHVTPQX-QGZVFWFLSA-N
MW364.45 g/mol
LogP1.46
Rot. Bonds4

About 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]acetamide

2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]acetamide (PubChem CID 125172240) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]acetamide
PubChem CID125172240
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]acetamide
SMILESCc1cc(C)n2nc(CC(=O)NC[C@H]3Cc4ccccc4CN3C)nc2n1
InChIInChI=1S/C20H24N6O/c1-13-8-14(2)26-20(22-13)23-18(24-26)10-19(27)21-11-17-9-15-6-4-5-7-16(15)12-25(17)3/h4-8,17H,9-12H2,1-3H3,(H,21,27)/t17-/m1/s1
InChIKeyTZBAIBMJHVTPQX-QGZVFWFLSA-N
XLogP1.46
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]acetamide with MolForge

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Related Compounds

2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]acetamide
CID 119070698
N-[(2-chlorophenyl)methyl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 3390597
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-(2-hydroxyethyl)acetamide
CID 110893825
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]acetamide;hydrochloride
CID 154896237
N-cycloheptyl-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 3242709
N-[(S)-cyclohexyl(phenyl)methyl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 51956546
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]acetamide
CID 86285398
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]acetamide
CID 60509713
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4S)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]acetamide
CID 99975390
4-methyl-N-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methylamino]-3-oxopropyl]benzamide
CID 91832479
2-(4-aminopyrazol-1-yl)-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]acetamide
CID 125174227
5-fluoro-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]pyridine-3-carboxamide
CID 124756454

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]acetamide?
The IUPAC name of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]acetamide (CID 125172240) is 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]acetamide?
The canonical SMILES for 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]acetamide is Cc1cc(C)n2nc(CC(=O)NC[C@H]3Cc4ccccc4CN3C)nc2n1.
What is the InChIKey of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]acetamide?
The InChIKey is TZBAIBMJHVTPQX-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H24N6O/c1-13-8-14(2)26-20(22-13)23-18(24-26)10-19(27)21-11-17-9-15-6-4-5-7-16(15)12-25(17)3/h4-8,17H,9-12H2,1-3H3,(H,21,27)/t17-/m1/s1.
What are the key properties of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]acetamide?
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]acetamide has a molecular weight of 364.45 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]acetamide is sourced from PubChem (CID 125172240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).